Methyl phenacyl sulfoxide
TL;DR: Methyl phenacyl sulfoxide (CAS 2813-22-1) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfinyl-1-phenylethanone
Also Known As: Methyl phenacyl sulfoxide, 2-methylsulfinyl-1-phenylethanone, 2-(Methylsulfinyl)acetophenone, 2-(methylsulfinyl)-1-phenylethanone, alpha-(Methylsulfinyl)acetophenone
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 1.2478 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 292.65665 |
Chemical Identifiers
| CAS Number | 2813-22-1 |
|---|---|
| SMILES | CS(=O)CC(=O)C1=CC=CC=C1 |
Product Overview
Methyl phenacyl sulfoxide (CAS 2813-22-1), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 2-methylsulfinyl-1-phenylethanone.
Chemical Property Profile of Methyl phenacyl sulfoxide
Property Insights of Methyl phenacyl sulfoxide
The XLogP value of 1.2478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl phenacyl sulfoxide. With a topological polar surface area (TPSA) of 34.14 Ų, Methyl phenacyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl phenacyl sulfoxide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl phenacyl sulfoxide?
The CAS number of Methyl phenacyl sulfoxide is 2813-22-1.
What is the molecular formula of Methyl phenacyl sulfoxide?
The molecular formula of Methyl phenacyl sulfoxide is C9H10O2S.
What is the molecular weight of Methyl phenacyl sulfoxide?
The molecular weight of Methyl phenacyl sulfoxide is 182.04 g/mol.
Where can I buy Methyl phenacyl sulfoxide?
You can request a quote for Methyl phenacyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phenacyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Methyl phenacyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.